methyl 4-methylsulfanyl-2-[2,3,4,5,6-pentakis(oxidanyl)hexylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[2,3,4,5,6-pentakis(oxidanyl)hexylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-(2,3,4,5,6-pentahydroxyhexylamino)butanoate CAS Name: 4-(methylthio)-2-(2,3,4,5,6-pentahydroxyhexylamino)butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-(2,3,4,5,6-pentahydroxyhexylamino)butanoate Traditional Name: 4-(methylthio)-2-(2,3,4,5,6-pentahydroxyhexylamino)butyric acid methyl ester Formula: C12H25NO7S MolecularWeight: 327.3944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NCC(C(C(C(CO)O)O)O)O

Isomeric SMILES

COC(=O)C(CCSC)NCC(C(C(C(CO)O)O)O)O

InChI

InChI=1S/C12H25NO7S/c1-20-12(19)7(3-4-21-2)13-5-8(15)10(17)11(18)9(16)6-14/h7-11,13-18H,3-6H2,1-2H3